jaimergp
jaimergp
**Describe the bug** I am analyzing a set of kinases bound to ligand `STU`, as provided by KLIFS. In kinases, the hinge region is usually interacting with the ligand with...
Just ran into a weird issue. Some complex environment files will happily downgrade (and I guess also upgrade) Python versions to solve the environment. ``` % conda create -n py39...
Sometimes connection to the Anaconda server fails and a simple retry fixes it: [Example](https://github.com/jaimergp/openmm/pull/3/checks?check_run_id=1600469894#step:3:266) ``` CondaHTTPError: HTTP 000 CONNECTION FAILED for url Elapsed: - An HTTP error occurred when trying...
When `conda` cannot solve an environment, it will try to build a conflict report detailing the possible causes. This takes a while and is often not very helpful. Users are...
We are trying to use `setup-miniconda` to enable PyPy CI pipelines in https://github.com/openmm/openmm/pull/3086, but we are facing some issues with the `python-version` option. Seems that the action adds `python=x.y` to...
Thoughts on this? https://github.com/mamba-org/mamba#micromamba > micromamba is a tiny version of the mamba package manager. It is a pure C++ package with a separate command line interface. It can be...
I would have expected runners to follow redirections for actions that have changed location, but they don't... https://github.com/openforcefield/openforcefield/runs/1114396909?check_suite_focus=true Thanks to @mattwthompson for the report!
**Is your feature request related to a problem? Please describe.** `grayskull` will identify licenses by fuzzy match in some cases and then suggest the best result. However, sometimes the fuzzy...
### Description `conda` does not have bullet-proof support for spaces in its environment paths. As a matter of fact, environment names with spaces are forbidden: ``` $ conda create -n...
### Checklist - [X] I added a descriptive title - [X] I searched open reports and couldn't find a duplicate ### What happened? conda has `noarch: python` packages to help...